New insight into the structure of PuGaO3 from ab initio particle-swarm optimization methodology-Reference-Cited by-同舟云学术

New insight into the structure of PuGaO3 from ab initio particle-swarm optimization methodology

Published:2018 Issue:45 Volume:6 Page:22798-22808
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Li Shichang¹²³⁴^ORCID,Ye Xiaoqiu⁵⁶⁴,Liu Tao¹²³⁴,Gao Tao¹²³⁴,Ma Shenggui¹²³⁴,Ao Bingyun⁵⁶⁴⁷⁸

Affiliation:

1. Institute of Atomic and Molecular Physics

2. Sichuan University

3. Chengdu 610065

4. China

5. Science and Technology on Surface Physics and Chemistry Laboratory

6. Jiangyou 621908

7. Beijing Computational Science Research Center

8. Beijing 100094

Abstract

A systematic study of the phase stability, chemical bonding, and lattice dynamics properties of PuGaO₃ is performed by means of unbiased particle-swarm optimization techniques combined with first-principles calculations.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/TA/C8TA08245F

Reference63 articles.

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